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1JPZ
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Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
分子名称: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2001-08-03
公開日2001-11-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
3VQU
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
分子名称: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y.
登録日2012-03-30
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3VUH
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Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1
分子名称: GLYCEROL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ...
著者Nakaniwa, T, Kinoshita, T, Inoue, T.
登録日2012-06-28
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
3VUT
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Crystal structures of non-phosphorylated MAP2K4
分子名称: Dual specificity mitogen-activated protein kinase kinase 4
著者Matsumoto, T, Kinoshita, T, Kirii, Y, Tada, T, Yamano, A.
登録日2012-07-05
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal and solution structures disclose a putative transient state of mitogen-activated protein kinase kinase 4
Biochem.Biophys.Res.Commun., 425, 2012
2UZT
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PKA structures of AKT, indazole-pyridine inhibitors
分子名称: (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
3VUD
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Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1
分子名称: Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION
著者Nakaniwa, T, Kinoshita, T, Inoue, T.
登録日2012-06-28
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
3VUM
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Crystal structure of a cysteine-deficient mutant M7 in MAP kinase JNK1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ...
著者Nakaniwa, T, Kinoshita, T, Inoue, T.
登録日2012-07-02
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
2UZU
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PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2C6H
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Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
分子名称: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
登録日2005-11-09
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
1HAZ
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Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute
分子名称: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
著者Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
登録日2001-04-10
公開日2001-08-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
2UZW
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PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
1HCK
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HUMAN CYCLIN-DEPENDENT KINASE 2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION
著者Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H.
登録日1996-06-03
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
1HBI
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CRYSTAL STRUCTURE OF OXYGENATED SCAPHARCA DIMERIC HEMOGLOBIN AT 1.7 ANGSTROMS RESOLUTION
分子名称: HEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E, Condon, P.J.
登録日1994-06-22
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of oxygenated Scapharca dimeric hemoglobin at 1.7-A resolution.
J.Biol.Chem., 269, 1994
2BZI
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CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2
分子名称: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2
著者Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
登録日2005-08-18
公開日2005-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
1GNR
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BU of 1gnr by Molmil
X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
著者Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S.
登録日1995-05-11
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
J.Mol.Biol., 253, 1995
1VDQ
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The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
分子名称: Lysozyme C
著者Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
登録日2004-03-24
公開日2004-04-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
to be published
1VDT
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The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space
分子名称: Lysozyme C
著者Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
登録日2004-03-24
公開日2004-04-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space
to be published
1VHB
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BACTERIAL DIMERIC HEMOGLOBIN FROM VITREOSCILLA STERCORARIA
分子名称: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Tarricone, C, Galizzi, A, Coda, A, Ascenzi, P, Bolognesi, M.
登録日1997-02-19
公開日1998-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Unusual structure of the oxygen-binding site in the dimeric bacterial hemoglobin from Vitreoscilla sp.
Structure, 5, 1997
1HFX
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ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Pike, A.C.W, Brew, K, Acharya, K.R.
登録日1996-06-13
公開日1997-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of guinea-pig, goat and bovine alpha-lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase.
Structure, 4, 1996
1VIP
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ANTICOAGULANT CLASS II PHOSPHOLIPASE A2 FROM THE VENOM OF VIPERA RUSSELLI RUSSELLI
分子名称: PHOSPHOLIPASE A2, SULFATE ION
著者Carredano, E, Westerlund, B, Persson, B, Saarinen, M, Ramaswamy, S, Eaker, D, Eklund, H.
登録日1997-02-27
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The three-dimensional structures of two toxins from snake venom throw light on the anticoagulant and neurotoxic sites of phospholipase A2.
Toxicon, 36, 1998
2BWK
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Murine angiogenin, sulphate complex
分子名称: ANGIOGENIN, SULFATE ION
著者Holloway, D.E, Chavali, G.B, Hares, M.C, Subramanian, V, Acharya, K.R.
登録日2005-07-15
公開日2005-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Murine Angiogenin: Features of the Substrate- and Cell-Binding Regions and Prospects for Inhibitor-Binding Studies.
Acta Crystallogr.,Sect.D, 61, 2005
2XZS
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Death associated protein kinase 1 residues 1-312
分子名称: DEATH ASSOCIATED KINASE 1, MAGNESIUM ION
著者Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J.
登録日2010-11-29
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Structure, 24, 2016
1VPI
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PHOSPHOLIPASE A2 INHIBITOR FROM VIPOXIN
分子名称: PHOSPHOLIPASE A2 INHIBITOR
著者Devedjiev, Y.D, Popov, A.N.
登録日1996-12-17
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-ray structure at 1.76 A resolution of a polypeptide phospholipase A2 inhibitor.
J.Mol.Biol., 266, 1997
3HVC
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Crystal structure of human p38alpha MAP kinase
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14
著者Perry, J.J, Tainer, J.A.
登録日2009-06-15
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009

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